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UKAEA-CCFE-PR(26)4192025
Materials used in commercial D-T fusion reactors will be exposed to irradiation and a mixture of helium and hydrogen plasma. Modeling the microstructural evolution of such materials requires the use of large-scale molecular dynamics simulations. The focus of this study is to develop a fast EAM potential for the interactions among the three elements…
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UKAEA-CCFE-PR(26)4162025
We propose a computational scheme for the diffusion and retention of multiple hydrogen isotopes with multi-occupancy traps parameterized by first principles calculations. We show that it is often acceptable to reduce the complexity of the coupled differential equations for gas evolution by taking the dynamic steady state, a generalisation of the Or…
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UKAEA-CCFE-PR(25)3772025
The vacancies and interstitials produced in high-energy collision cascades of irradiated tungsten can form prismatic dislocation loops with Burgers vectors 1⁄2⟨1 1 1⟩ and ⟨1 0 0⟩. The 1⁄2⟨1 1 1⟩ loops are very mobile, and their mobility is essential for the microstructure development of irradiated materials, It is a key parameter …
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UKAEA-CCFE-PR(25)3292025
Tungsten-based low-activation high-entropy alloys are possible candidates for next-generation fusion reactors due to their exceptional tolerance to irradiation, thermal loads, and stress. We develop an accurate and efficient machine-learned interatomic potential for the W–Ta–Cr–V system and use it in hybrid Monte Carlo mo…
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UKAEA-CCFE-PR(26)4092024
We recast the Howie-Whelan equations for generating simulated transmission electron microscope (TEM) images, replacing the dependence on local atomic displacements with atomic positions only. This allows very rapid computation of simulated TEM images for arbitrarily complex atomistic configurations of lattice defects and dislocations in the dyna…
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UKAEA-STEP-PR(24)092024
The STEP Prototype Powerplant (SPP) will be a first of a kind powerplant – its prime objective is to export electrical power, to the grid, above 100MWe. As part of a wider issue, addressing the STEP concept design, this paper seeks to explore how electrical power will be generated from a Spherical Tokamak heat source. Accordingly, the followin…
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UKAEA-CCFE-PR(25)3892023
Swelling and microstructural evolution of nanocrystalline (NC) tungsten are investigated by atomic scale simulations exploring the low temperature, high radiation exposure limit. Statistical analysis of microstructures containing at least a million atoms, with the grain size varying from 5 nm to 20 nm, suggests that their evolution is dominated …
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UKAEA-CCFE-PR(25)3432023
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UKAEA-CCFE-PR(24)2542023
Conventional crystal plasticity (CP) solvers are based on a Newton-Raphson (NR) approach which use an initial guess for the free variables (often stress) to be solved. These solvers are limited by a finite interval of convergence and often fail when the free variable falls outside this interval. Solution failure results in the reduction of the t…
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UKAEA-CCFE-PR(24)2172023
Fusion energy offers the potential for a near limitless source of low-carbon energy and is oftenregarded as a solution for the world’s long-term energy needs. To realise such a scenario requiresthe design of high-performance fusion reactors capable of maintaining the extreme conditionsnecessary to enable fusion. Turbulence …
Showing 1 - 10 of 32 UKAEA Paper Results